Chlorine in PDB 3kg1: Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A

The structure of Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A, PDB code: 3kg1 was solved by H.Koskiniemi, T.Grocholski, Y.Lindqvist, P.Mantsala, J.Niemi, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.42 / 2.50
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.831, 111.603, 48.087, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 26.1

The binding sites of Chlorine atom in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A (pdb code 3kg1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A, PDB code: 3kg1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl119 b:46.4 occ:1.00 NH2 A:ARG53 3.8 42.0 1.0 NH1 A:ARG53 3.9 41.9 1.0 CZ A:ARG53 4.3 41.3 1.0 OD1 A:ASP58 4.9 42.8 0.0 OD1 A:ASP58 4.9 42.8 0.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Snoab, A Cofactor-Independent Oxygenase From Streptomyces Nogalater, Mutant N63A within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl119 b:42.5 occ:1.00 OG1 C:THR21 3.3 31.5 1.0 OE2 C:GLU96 3.7 41.7 1.0 OG1 C:THR94 3.8 28.8 1.0 N C:SER95 3.9 31.0 1.0 CG C:GLU96 4.0 35.5 1.0 CA C:SER95 4.0 31.1 1.0 C C:THR94 4.0 30.4 1.0 O C:THR94 4.1 29.9 1.0 O C:ARG19 4.1 32.9 1.0 CD C:GLU96 4.2 39.6 1.0 CB C:THR94 4.3 30.0 1.0 N C:THR21 4.3 30.9 1.0 C C:SER95 4.3 31.7 1.0 CB C:THR21 4.3 30.7 1.0 N C:GLU96 4.4 32.4 1.0 CB C:GLU96 4.8 33.2 1.0 CA C:THR94 4.8 30.0 1.0 C C:PHE20 4.8 31.5 1.0 C C:ARG19 4.9 32.7 1.0 O C:SER95 4.9 32.0 1.0 CA C:THR21 5.0 30.6 1.0

T.Grocholski, H.Koskiniemi, Y.Lindqvist, P.Mantsala, J.Niemi, G.Schneider. Crystal Structure of the Cofactor-Independent Monooxygenase Snoab From Streptomyces Nogalater: Implications For the Reaction Mechanism Biochemistry V. 49 934 2010.
ISSN: ISSN 0006-2960
PubMed: 20052967
DOI: 10.1021/BI901985B